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(²H?)benzonitrile

(²H?)benzonitrile

CAS: 2102-15-0

Formula: C7H5N

SMILES: [2H]C1=C([2H])C([2H])=C(C#N)C([2H])=C1[2H]

IUPAC: (²H?)benzonitrile

InChI: InChI=1S/C7H5N/c8-6-7-4-2-1-3-5-7/h1-5H/i1D,2D,3D,4D,5D

Composition: C (77.74%), H (0.00%), [2H] (9.31%), N (12.95%)

Molar Mass: 108.155

Atom Count: 13

Heavy Atom Count: 8

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 108.073582895
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey JFDZBHWFFUWGJE-RALIUCGRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 31.78
Topological Polar Surface Area 23.79
Polarizability 12.18
Ring Count 1
Rotatable Bond Count 0

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